REMARK Name = BDB013392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.084 -0.979 -0.126 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -0.317 -1.001 -0.216 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.140 -1.203 0.911 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.526 -1.411 2.162 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.316 -1.612 3.422 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.876 -1.402 2.251 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.671 -1.195 1.124 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.920 -0.740 -1.382 0.00 0.00 +0.060 C BRANCH 8 15 ATOM 9 C LIG 1 5.508 0.751 -1.131 0.00 0.00 +0.147 A ATOM 10 C LIG 1 5.154 2.056 -0.779 0.00 0.00 +0.130 A ATOM 11 C LIG 1 3.841 2.470 -0.608 0.00 0.00 +0.117 A ATOM 12 N LIG 1 3.814 3.795 -0.262 0.00 0.00 -0.129 NA ATOM 13 N LIG 1 5.065 4.232 -0.209 0.00 0.00 -0.065 NA ATOM 14 C LIG 1 2.799 1.553 -0.797 0.00 0.00 +0.036 A ATOM 15 C LIG 1 3.096 0.222 -1.169 0.00 0.00 -0.034 A ATOM 16 N LIG 1 5.867 3.194 -0.514 0.00 0.00 -0.243 N ATOM 17 C LIG 1 7.295 3.367 -0.533 0.00 0.00 +0.175 C ATOM 18 C LIG 1 4.443 -0.145 -1.339 0.00 0.00 +0.052 A BRANCH 9 20 ATOM 19 C LIG 1 7.175 -0.931 -1.220 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.835 0.452 -1.267 0.00 0.00 -0.493 OA ENDBRANCH 9 20 ENDBRANCH 8 15 BRANCH 8 21 ATOM 21 C LIG 1 2.187 -2.058 -2.132 0.00 0.00 +0.133 C BRANCH 21 22 ATOM 22 C LIG 1 2.727 -3.172 -1.274 0.00 0.00 +0.306 C ATOM 23 O LIG 1 3.803 -3.202 -0.700 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 1.889 -4.225 -1.202 0.00 0.00 -0.481 OA ATOM 25 H LIG 1 2.337 -4.847 -0.591 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 8 21 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 C LIG 1 -2.648 -1.199 0.705 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 N LIG 1 -3.373 -0.072 1.349 0.00 0.00 -0.166 NA ATOM 28 S LIG 1 -3.246 1.457 0.594 0.00 0.00 +0.065 S ATOM 29 O LIG 1 -3.539 2.436 1.623 0.00 0.00 -0.153 OA ATOM 30 O LIG 1 -2.031 1.534 -0.185 0.00 0.00 -0.153 OA ATOM 31 C LIG 1 -4.590 1.595 -0.562 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -5.403 0.536 -0.956 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -6.430 0.758 -1.880 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -6.675 2.040 -2.374 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.883 3.106 -1.959 0.00 0.00 +0.002 A ATOM 36 O LIG 1 -5.216 -0.759 -0.582 0.00 0.00 -0.488 OA ATOM 37 C LIG 1 -5.639 -1.027 0.760 0.00 0.00 +0.249 C ATOM 38 C LIG 1 -4.842 2.886 -1.057 0.00 0.00 +0.032 A ATOM 39 C LIG 1 -4.764 -0.358 1.837 0.00 0.00 +0.114 C ATOM 40 C LIG 1 -4.758 -1.160 3.133 0.00 0.00 +0.029 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8